4-[4-hydroxy-3,5-bis(propan-2-yl)phenyl]-2,6-bis(propan-2-yl)phenol

• ChemBase ID: 289086
• Molecular Formular: C24H34O2
• Molecular Mass: 354.52556
• Monoisotopic Mass: 354.25588033
• SMILES: Oc1c(C(C)C)cc(c2cc(C(C)C)c(O)c(C(C)C)c2)cc1C(C)C
• Canonical SMILES: CC(c1cc(cc(c1O)C(C)C)c1cc(C(C)C)c(c(c1)C(C)C)O)C
• InChI: InChI=1S/C24H34O2/c1-13(2)19-9-17(10-20(14(3)4)23(19)25)18-11-21(15(5)6)24(26)22(12-18)16(7)8/h9-16,25-26H,1-8H3
• InChIKey: QAISRHCMPQROAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-hydroxy-3,5-bis(propan-2-yl)phenyl]-2,6-bis(propan-2-yl)phenol
• IUPAC Traditional name: 4-(4-hydroxy-3,5-diisopropylphenyl)-2,6-diisopropylphenol
• Synonyms: 3,3',5,5'-Tetraisopropylbiphenyl-4,4'-diol

Database IDs

• CAS Number: 2416-95-7
• MDL Number: MFCD20257818
• PubChem SID: 180674617
• PubChem CID: 11602828

CALCULATED PROPERTIES

• Acid pKa: 10.611823
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 7.993374
• LogD (pH = 7.4): 7.993112
• Log P: 7.993377
• Molar Refractivity: 111.9192 cm^3
• Polarizability: 44.366104 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%